2,3,5-trifluorophenylboronic acid
Product Information
Molecular Formula
C6H4O2BF3
Molecular Weight
175.9
Description
Reactant involved in the synthesis of biologically active compounds:• Pyrazole-acids to be used as agonists of human orphan GPCR GPR109a• Bicyclic pyrazole carboxylic acid derivatives as a niacin receptor agonist• 5-Alkyl and 5-aryl-pyrazole-tetrazoles as agonists of human orphan GPCR GPR109a
Synonyms
RARECHEM AH PB 0120; 2,3,5-Trifluorobenzeneboronic acid; 2,3,5-Trifluorophenylboronic acid
IUPAC Name
(2,3,5-trifluorophenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
InChI Key
IRMUMGKQAXLGHK-UHFFFAOYSA-N
Boiling Point
269.3°C at 760mmHg
Melting Point
221°C (dec.)
Flash Point
Not applicable
Purity
97%
Density
1.44g/cm3
Appearance
White powder
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
176.0256440 g/mol
Monoisotopic Mass
176.0256440 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
158
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022036177-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 2020-08-13 |
| WO-2021216951-A1 | Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 | 2020-04-24 |
| WO-2021204930-A1 | Substituted condensed azines as anthelmintic compounds | 2020-04-09 |
| CN-110981699-A | Improvement of synthesis process of 3,4, 5-trifluorophenol | 2019-12-17 |
| WO-2021119254-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 2019-12-10 |
| WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 2019-12-10 |
| WO-2021067696-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 2019-10-04 |
| WO-2021018839-A1 | Isoquinoline derivatives and their use for the treatment of parasitic infections | 2019-07-30 |
| TW-202120490-A | New isoquinoline derivatives | 2019-07-30 |
| US-2020385398-A1 | New bicyclic derivatives | 2019-06-07 |
